(2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone

C16H12ClF3O — CID 23320953

IUPAC(2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C16H12ClF3O/c1-9-7-10(2)14(13(17)8-9)15(21)11-3-5-12(6-4-11)16(18,19)20/h3-8H,1-2H3
InChIKeyONQLIEPSDFGFQB-UHFFFAOYSA-N
MW312.72 g/mol
LogP5.21
Rot. Bonds2

About (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone

(2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 23320953) has the molecular formula C16H12ClF3O and a molecular weight of 312.72 g/mol. Its IUPAC name is (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID23320953
Molecular FormulaC16H12ClF3O
Molecular Weight312.72 g/mol
Exact Mass312.05
IUPAC Name(2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1
InChIInChI=1S/C16H12ClF3O/c1-9-7-10(2)14(13(17)8-9)15(21)11-3-5-12(6-4-11)16(18,19)20/h3-8H,1-2H3
InChIKeyONQLIEPSDFGFQB-UHFFFAOYSA-N
XLogP5.21
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.72
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-Chloroanthraquinone
CID 6709
1-Chloro-2-methylanthraquinone
CID 8509
Methanone, (2-chlorophenyl)phenyl-
CID 78838
1,8-Dichloroanthraquinone
CID 6708
1,5-Dichloroanthraquinone
CID 6711
1,8-Dichloro-10H-anthracen-9-one
CID 424114
2-Chloro-4'-fluorobenzophenone
CID 74547
(2-Chlorophenyl)(4-methylphenyl)methanone
CID 22237
2-Chloro-4'-phenylbenzophenone
CID 198145
[2,6-Dichloro-4-(trifluoromethyl)phenyl]phenylmethanone
CID 569433
(10E)-1,5-dichloro-10-phenacylideneanthracen-9-one
CID 46854072
4-(2-Chloro-phenyl)-[1,2]naphthoquinone
CID 10778347

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone (CID 23320953) is (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone is Cc1cc(C)c(C(=O)c2ccc(C(F)(F)F)cc2)c(Cl)c1.
What is the InChIKey of (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is ONQLIEPSDFGFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClF3O/c1-9-7-10(2)14(13(17)8-9)15(21)11-3-5-12(6-4-11)16(18,19)20/h3-8H,1-2H3.
What are the key properties of (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone?
(2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 312.72 g/mol, XLogP of 5.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4,6-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 23320953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).